Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50479382
Substrate
n/a
Meas. Tech.
ChEMBL_561275 (CHEMBL1016223)
IC50
18800±n/a nM
Citation
 Billamboz, M; Bailly, F; Barreca, ML; De Luca, L; Mouscadet, JF; Calmels, C; Andréola, ML; Witvrouw, M; Christ, F; Debyser, Z; Cotelle, P Design, synthesis, and biological evaluation of a series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as dual inhibitors of human immunodeficiency virus type 1 integrase and the reverse transcriptase RNase H domain. J Med Chem 51:7717-30 (2008) [PubMed]  Article
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50479382
Synonyms:
CHEMBL446644
Type:
Small organic molecule
Emp. Form.:
C14H16N2O4
Mol. Mass.:
276.2878
SMILES:
CCCCC(=O)Nc1ccc2CC(=O)N(O)C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: